(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride

C12H19ClN2O3S — CID 119274664

IUPAC(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](C)N)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-8(13)12(15)14-9(2)10-4-6-11(7-5-10)18(3,16)17;/h4-9H,13H2,1-3H3,(H,14,15);1H/t8-,9?;/m1./s1
InChIKeyGHQBTAOOCWAQHC-URIXSHMWSA-N
MW306.82 g/mol
LogP1.04
Rot. Bonds4

About (2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119274664) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
PubChem CID119274664
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC Name(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](C)N)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-8(13)12(15)14-9(2)10-4-6-11(7-5-10)18(3,16)17;/h4-9H,13H2,1-3H3,(H,14,15);1H/t8-,9?;/m1./s1
InChIKeyGHQBTAOOCWAQHC-URIXSHMWSA-N
XLogP1.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 120666863
(2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119304077
3-amino-4-[1-(4-methylsulfonylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896729
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 61252821
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 106112545
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 103831127
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride (CID 119274664) is (2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride is CC(NC(=O)[C@@H](C)N)c1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is GHQBTAOOCWAQHC-URIXSHMWSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-8(13)12(15)14-9(2)10-4-6-11(7-5-10)18(3,16)17;/h4-9H,13H2,1-3H3,(H,14,15);1H/t8-,9?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 306.82 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119274664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).